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Information card for entry 7248207
Preview
| Coordinates | 7248207.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H17 N |
|---|---|
| Calculated formula | C24 H17 N |
| SMILES | N1=CCc2ccccc2c2c(cc3c(cccc3)c12)c1ccccc1 |
| Title of publication | Synthesis of the dibenzo[b,d]azepine skeleton via a catalyst-free ring expansion domino reaction |
| Authors of publication | Guo, Tao; Hu, Penghua; Li, Jiaxin; Zhou, Yujia; Zhang, Panke; Zhao, Yunhui; Zhu, Congjun |
| Journal of publication | Green Chemistry |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 7 |
| Pages of publication | 3786 - 3790 |
| a | 8.2109 ± 0.0002 Å |
| b | 13.5877 ± 0.0003 Å |
| c | 15.4845 ± 0.0003 Å |
| α | 90° |
| β | 90.659 ± 0.001° |
| γ | 90° |
| Cell volume | 1727.45 ± 0.07 Å3 |
| Cell temperature | 303 ± 2 K |
| Ambient diffraction temperature | 303 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0722 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.1161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | cukα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291003 (current) | 2024-04-05 | cif/ Updating files of 7248207 Original log message: Adding full bibliography for 7248207.cif. |
7248207.cif |
| 289921 | 2024-02-22 | cif/ Adding structures of 7248207 via cif-deposit CGI script. |
7248207.cif |
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Users of the data should acknowledge the original authors of the
structural data.